Information card for entry 4131216

Structure parameters

• Formula: C25 H51 Cl3 Si6
• Calculated formula: C25 H51 Cl3 Si6
• SMILES: [Si]1([Si](Cl)(Cl)c2c(cc(cc2C)C)C)(Cl)C([Si](C)(C)C)([Si](C)(C)C)CCC1([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Pentasila-1,4-diene: Homoconjugation between Si═Si Double Bonds via a SiMe(2) Unit.
• Authors of publication: Kosai, Tomoyuki; Ishida, Shintaro; Iwamoto, Takeaki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 1
• Pages of publication: 99 - 102
• a: 20.2103 ± 0.0014 Å
• b: 8.9161 ± 0.0006 Å
• c: 20.7174 ± 0.0014 Å
• α: 90°
• β: 99.885 ± 0.002°
• γ: 90°
• Cell volume: 3677.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No